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N,N-Dimethyl-1H-imidazole-1-sulfonamide
N,N-DIMETHYL IMIDAZOLE-1-SULFONAMIDE · N,N-Dimethyl-1H-imidazole-1-sulfonamide · Dexmedetomidine Impurity 27 · 1-(DIMETHYLSULFAMOYL)IMIDAZOLE · 1-(Dimethylsulfamoyl)-1H-imidazole · N,N-dimethylimidazol-1-sulfonamide · 1-(Dimethylsulphamoyl)-1H-imidazole · 1-(N,N-Dimethylsulfamoyl)-1H-imidazole
Identifikatoren & physikalische Daten
| CAS No. | 78162-58-0 |
|---|---|
| Summenformel | C5H9N3O2S |
| Durchschnittliche Molmasse | 175,21 g/mol |
| Monoisotopische Masse | 175,04154753 g/mol |
| SMILES | CN(C)S(=O)(=O)n1ccnc1 |
| InChIKey | YRRWNBMOJMMXQY-UHFFFAOYSA-N |
| PubChem CID | 395751 |
| ChEMBL | CHEMBL1479124 |
| EC No. | 626-723-7 |
| DTXSID | DTXSID20327908 |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 218 |
| Schmelzpunkt | 48-51 °C (lit.) |
| Siedepunkt | 83-87 °C(Press: 0.6 Torr) |
| Dichte | 1.35±0.1 g/cm3(Predicted) |
| Flammpunkt | 230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.41±0.10(Predicted) |
| Farbe | Pale Yellow |
| InChI | InChI=1S/C5H9N3O2S/c1-7(2)11(9,10)8-4-3-6-5-8/h3-5H,1-2H3 |
| InChIKey | YRRWNBMOJMMXQY-UHFFFAOYSA-N |
| SMILES | C1N(S(N(C)C)(=O)=O)C=CN=1 |
| CAS Datenbank | 78162-58-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933299090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
IMIDAZOLE-1-SULFONIC ACID DIMETHYL AMINE is an Imidazole (I350200) derivative, used in the preparation of Histamine H3 Receptor Agonists and druglike angiotensin II compounds with affinity for the AT2 r eceptor.